1-(4,4-Diphenylbut-3-en-1-yl)piperidine-3-carboxylic acid hydrochloride

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H25NO2.ClH
Molecular Weight	371.9
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(4,4-Diphenylbut-3-en-1-yl)piperidine-3-carboxylic acid hydrochloride

Structure Search

SMILES

Cl.OC(=O)C1CCCN(CCC=C(C2=CC=CC=C2)C3=CC=CC=C3)C1

InChI

InChIKey=SNGGBKYQZVAQKA-UHFFFAOYSA-N

InChI=1S/C22H25NO2.ClH/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19;/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25);1H

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C22H25NO2
Molecular Weight	335.4394
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
GABA transporter 1 11 Target ID: CHEMBL1903 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23336362	Inhibitor 8504		0.2 µM [IC50]

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:09:37 GMT 2025` Edited by `admin` on `Wed Apr 02 21:09:37 GMT 2025`
Record UNII	933TH75A2D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SKF-89976A

Preferred Name

English

1-(4,4-Diphenylbut-3-en-1-yl)piperidine-3-carboxylic acid hydrochloride

Systematic Name

English

SKF89976A

Code

English

3-Piperidinecarboxylic acid, 1-(4,4-diphenyl-3-buten-1-yl)-, hydrochloride (1:1)

Systematic Name

English

SKF89976A hydrochloride

Common Name

English

Code System Code Type Description

FDA UNII

933TH75A2D

Created by admin on Wed Apr 02 21:09:37 GMT 2025 , Edited by admin on Wed Apr 02 21:09:37 GMT 2025

PRIMARY

PUBCHEM

6917797

Created by admin on Wed Apr 02 21:09:37 GMT 2025 , Edited by admin on Wed Apr 02 21:09:37 GMT 2025

PRIMARY

CAS

85375-15-1

Created by admin on Wed Apr 02 21:09:37 GMT 2025 , Edited by admin on Wed Apr 02 21:09:37 GMT 2025

PRIMARY

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1-(4,4-Diphenylbut-3-en-1-yl)piperidine-3-carboxylic acid

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